Drug Information

Drug General Information
Drug ID
D0O5YE
Former ID
DNC005398
Drug Name
2-(3-Isobutyl-phenyl)-propionic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527602]
Formula
C13H18O2
Canonical SMILES
CC(C)CC1=CC(=CC=C1)C(C)C(=O)O
InChI
1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15)
InChIKey
SFVKLYXPBKITCE-UHFFFAOYSA-N
PubChem Compound ID
11424295
Target and Pathway
Target(s) High affinity interleukin-8 receptor B Target Info Inhibitor [527602]
High affinity interleukin-8 receptor A Target Info Inhibitor [527602]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Endocytosis
Epithelial cell signaling in Helicobacter pylori infectionhsa04060:Cytokine-cytokine receptor interaction
Epithelial cell signaling in Helicobacter pylori infection
NetPath Pathway TNFalpha Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Interleukin signaling pathwayP00031:Inflammation mediated by chemokine and cytokine signaling pathway
Interleukin signaling pathway
Pathway Interaction Database IL8- and CXCR2-mediated signaling eventsil8cxcr1_pathway:IL8- and CXCR1-mediated signaling events
Reactome Chemokine receptors bind chemokines
G alpha (i) signalling eventsR-HSA-380108:Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
Differentiation Pathway
GPCRs, Other
References
Ref 527602J Med Chem. 2005 Jun 30;48(13):4312-31.2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.
Ref 527602J Med Chem. 2005 Jun 30;48(13):4312-31.2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Tang and Dr. Zhang.